1,6-bis[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]hexane-1,6-dione

Systemtic Name: 1,6-bis[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]hexane-1,6-dione Openeye Name: 1,6-bis[2-[1-(hydroxymethyl)propylamino]-4,4-dimethyl-6-oxo-cyclohexen-1-yl]hexane-1,6-dione CAS Name: 1,6-bis[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]hexane-1,6-dione IUPAC Name: 1,6-bis[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]hexane-1,6-dione Traditional Name: 1,6-bis[6-keto-4,4-dimethyl-2-(1-methylolpropylamino)cyclohexen-1-yl]hexane-1,6-dione Formula: C30H48N2O6 MolecularWeight: 532.71192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCCCC(=O)C2=C(CC(CC2=O)(C)C)NC(CC)CO

Isomeric SMILES

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCCCC(=O)C2=C(CC(CC2=O)(C)C)NC(CC)CO

InChI

InChI=1S/C30H48N2O6/c1-7-19(17-33)31-21-13-29(3,4)15-25(37)27(21)23(35)11-9-10-12-24(36)28-22(32-20(8-2)18-34)14-30(5,6)16-26(28)38/h19-20,31-34H,7-18H2,1-6H3